el1:  Cu
struct:  fcc
lp:  3.62
ecoh:  3.54
surf:  100
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -23.427354
ene1pa: -3.34676485714
esub: -3.54
sarea1:  6.5522
esurff1:  1653.77860415  mJ/m^2
relaxed
ene2m: -23.428152
ene2mpa: -3.34687885714
sarea2:  6.5522
esurff2m:  1652.80294952  mJ/m^2
